First-principles quantum computations to investigate prospects of Mg2FeH6 for optoelectronics and hydrogen-storage applications
Azmat Iqbal Bashir, Hasnain Arif, Sikander Azam, Muhammad Irfan, Naveed Ahmed Khan
Topics & Concepts
Hydrogen storageDensity functional theoryGravimetric analysisHydrogenBand gapMaterials sciencePhysical chemistryChemistryOptoelectronicsComputational chemistryOrganic chemistryHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase Materials